[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone

C25H27FN4O — CID 42802540

IUPAC[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H27FN4O/c1-4-22-18(3)27-23(19-10-8-17(2)9-11-19)28-24(22)29-12-14-30(15-13-29)25(31)20-6-5-7-21(26)16-20/h5-11,16H,4,12-15H2,1-3H3
InChIKeyOTZXQRWUIZPWST-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.42
Rot. Bonds4

About [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone

[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 42802540) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID42802540
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H27FN4O/c1-4-22-18(3)27-23(19-10-8-17(2)9-11-19)28-24(22)29-12-14-30(15-13-29)25(31)20-6-5-7-21(26)16-20/h5-11,16H,4,12-15H2,1-3H3
InChIKeyOTZXQRWUIZPWST-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802648
1,3-benzodioxol-5-yl-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802685
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472
5,6-diethyl-3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile
CID 133373555
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
(3-fluorophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047662
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 112817620
[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 3452300
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 3546930
(4-tert-butylphenyl)-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 3384471
(4-fluorophenyl)-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 3379291

Frequently Asked Questions

What is the IUPAC name of [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone (CID 42802540) is [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone is CCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is OTZXQRWUIZPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-4-22-18(3)27-23(19-10-8-17(2)9-11-19)28-24(22)29-12-14-30(15-13-29)25(31)20-6-5-7-21(26)16-20/h5-11,16H,4,12-15H2,1-3H3.
What are the key properties of [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 418.52 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 42802540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).